1-Methyl-1-((2R,4aR)-1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-2-naphthalenyl)ethyl 6-deoxy-alpha-L-mannopyranoside

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  • Identifiers

    CAS number
    349112-31-8

    Molecular formula
    C21H36O5

    SMILES
    C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC(C)(C)[C@@H]2CC[C@]3(CCCC(=C3C2)C)C)O)O)O

    Safety labels

  • Odor profile

    Fragrance
    Woody 54.41%
    Amber 39.13%
    Musk 37.13%
    Dry 33.7%
    Sweet 32.64%
    Spicy 30.4%
    Powdery 28.41%
    Odorless 27.22%
    Balsamic 27.2%
    Sandalwood 25.76%

     

    Flavor
    Herbal 33.8%
    Bitter 30.43%
    Sweet 30.04%
    Pine 29.59%
    Woody 28.21%
    Earthy 27.89%
    Minty 27.02%
    Balsam 26.77%
    Fresh 24.28%
    Camphor 23.59%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    2.3

    pKa est.
    7.22 (neutral)

    Molecular weight
    368.5 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Moderately slow

    Boiling point est.
    557°C

    Flash point

    • 157.4 ˚C est.

  • Synonyms

    • 349112-31-8
    • 1-Methyl-1-((2R,4aR)-1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-2-naphthalenyl)ethyl 6-deoxy-alpha-L-mannopyranoside
    • 1-Methyl-1-[(2R,4aR)-1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-2-naphthalenyl]ethyl 6-deoxy-alpha-L-mannopyranoside
    • RefChem:231440
    • CHEMBL477899
    • DTXSID301108292
    • 1-Methyl-1-[(2R,4aR)-1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-2-naphthalenyl]ethyl 6-deoxy-I+/--L-mannopyranoside
    • 349112-31-8

  • Applications

    Chemical name: 1-Methyl-1-((2R,4aR)-1,2,3,4,4a,5,6,7-octahydro-4a,8-dimethyl-2-naphthalenyl)ethyl 6-deoxy-alpha-L-mannopyranoside; CAS number: 349112-31-8 is a glycoside that combines a hydrophobic naphthalenyl-ethyl moiety with a deoxy-L-mannopyranoside, and in practice it is typically evaluated for fragrance-related applications where it can act as an odorant or pro-fragrance releasing aroma upon hydrolysis; in perfumery and cosmetics it may serve as a scent ingredient or carrier, and in household products as a scent additive; in pharmaceutical research it can be used as a glycosylated intermediate or chiral building block for glycosylated compounds; it may be evaluated as a flavor/aroma precursor in specialized formulations, subject to local regulations and formulation limits; and as a synthetic intermediate in glycosylation chemistry.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 15.85
    methanol 29.97
    isopropanol 4.88
    water 0.32
    ethyl acetate 12.11
    n-propanol 10.4
    acetone 16.63
    n-butanol 9.31
    acetonitrile 4.47
    DMF 24.31
    toluene 18.31
    isobutanol 6.21
    1,4-dioxane 65.74
    methyl acetate 9.19
    THF 143.3
    2-butanone 13.11
    n-pentanol 10.16
    sec-butanol 3.85
    n-hexane 0.42
    ethylene glycol 2.53
    NMP 35.02
    cyclohexane 1.6
    DMSO 57.49
    n-butyl acetate 12.98
    n-octanol 11.88
    chloroform 31.78
    n-propyl acetate 10.24
    acetic acid 28.29
    dichloromethane 24.23
    cyclohexanone 37.89
    propylene glycol 4.01
    isopropyl acetate 11.26
    DMAc 39.51
    2-ethoxyethanol 37.58
    isopentanol 8.95
    n-heptane 0.87
    ethyl formate 7.63
    1,2-dichloroethane 14.14
    n-hexanol 13.86
    2-methoxyethanol 42.6
    isobutyl acetate 10.09
    tetrachloromethane 4.79
    n-pentyl acetate 19.26
    transcutol 164.02
    n-heptanol 16.14
    ethylbenzene 8.05
    MIBK 13.2
    2-propoxyethanol 53.96
    tert-butanol 6.22
    MTBE 6.65
    2-butoxyethanol 46.57
    propionic acid 10.18
    o-xylene 11.9
    formic acid 16.6
    diethyl ether 8.93
    m-xylene 14.57
    p-xylene 10.02
    chlorobenzene 16.21
    dimethyl carbonate 8.72
    n-octane 0.47
    formamide 18.53
    cyclopentanone 46.05
    2-pentanone 14.54
    anisole 21.49
    cyclopentyl methyl ether 31.65
    gamma-butyrolactone 42.83
    1-methoxy-2-propanol 30.15
    pyridine 40.73
    3-pentanone 10.7
    furfural 44.98
    n-dodecane 0.34
    diethylene glycol 33.58
    diisopropyl ether 3.26
    tert-amyl alcohol 4.91
    acetylacetone 28.02
    n-hexadecane 0.42
    acetophenone 24.68
    methyl propionate 11.04
    isopentyl acetate 17.02
    trichloroethylene 36.53
    n-nonanol 13.06
    cyclohexanol 11.68
    benzyl alcohol 23.43
    2-ethylhexanol 9.25
    isooctanol 13.33
    dipropyl ether 8.98
    1,2-dichlorobenzene 16.06
    ethyl lactate 9.84
    propylene carbonate 18.03
    n-methylformamide 12.84
    2-pentanol 4.14
    n-pentane 0.41
    1-propoxy-2-propanol 32.15
    1-methoxy-2-propyl acetate 29.52
    2-(2-methoxypropoxy) propanol 37.76
    mesitylene 8.49
    ε-caprolactone 35.06
    p-cymene 7.61
    epichlorohydrin 56.53
    1,1,1-trichloroethane 9.6
    2-aminoethanol 8.6
    morpholine-4-carbaldehyde 59.12
    sulfolane 57.08
    2,2,4-trimethylpentane 0.48
    2-methyltetrahydrofuran 36.67
    n-hexyl acetate 23.53
    isooctane 0.45
    2-(2-butoxyethoxy)ethanol 59.48
    sec-butyl acetate 8.39
    tert-butyl acetate 15.9
    decalin 1.22
    glycerin 10.79
    diglyme 92.67
    acrylic acid 11.98
    isopropyl myristate 8.49
    n-butyric acid 16.08
    acetyl acetate 14.41
    di(2-ethylhexyl) phthalate 14.84
    ethyl propionate 8.53
    nitromethane 28.46
    1,2-diethoxyethane 30.68
    benzonitrile 16.11
    trioctyl phosphate 9.17
    1-bromopropane 5.42
    gamma-valerolactone 76.79
    n-decanol 8.07
    triethyl phosphate 9.23
    4-methyl-2-pentanol 4.91
    propionitrile 4.39
    vinylene carbonate 21.07
    1,1,2-trichlorotrifluoroethane 41.0
    DMS 15.68
    cumene 5.96
    2-octanol 7.32
    2-hexanone 12.31
    octyl acetate 11.77
    limonene 8.5
    1,2-dimethoxyethane 47.38
    ethyl orthosilicate 10.03
    tributyl phosphate 7.99
    diacetone alcohol 21.74
    N,N-dimethylaniline 16.26
    acrylonitrile 6.69
    aniline 20.58
    1,3-propanediol 16.7
    bromobenzene 15.64
    dibromomethane 13.88
    1,1,2,2-tetrachloroethane 28.56
    2-methyl-cyclohexyl acetate 18.01
    tetrabutyl urea 12.31
    diisobutyl methanol 6.11
    2-phenylethanol 28.62
    styrene 8.37
    dioctyl adipate 15.98
    dimethyl sulfate 16.15
    ethyl butyrate 10.93
    methyl lactate 10.83
    butyl lactate 19.6
    diethyl carbonate 7.06
    propanediol butyl ether 32.44
    triethyl orthoformate 13.62
    p-tert-butyltoluene 7.46
    methyl 4-tert-butylbenzoate 32.01
    morpholine 64.01
    tert-butylamine 2.82
    n-dodecanol 4.87
    dimethoxymethane 35.77
    ethylene carbonate 17.42
    cyrene 41.3
    2-ethoxyethyl acetate 35.8
    2-ethylhexyl acetate 13.64
    1,2,4-trichlorobenzene 22.59
    4-methylpyridine 28.42
    dibutyl ether 7.55
    2,6-dimethyl-4-heptanol 6.11
    DEF 16.51
    dimethyl isosorbide 68.62
    tetrachloroethylene 22.15
    eugenol 33.7
    triacetin 28.56
    span 80 32.59
    1,4-butanediol 7.34
    1,1-dichloroethane 7.77
    2-methyl-1-pentanol 9.89
    methyl formate 11.44
    2-methyl-1-butanol 7.19
    n-decane 0.76
    butyronitrile 5.43
    3,7-dimethyl-1-octanol 10.52
    1-chlorooctane 4.21
    1-chlorotetradecane 1.37
    n-nonane 0.61
    undecane 0.47
    tert-butylcyclohexane 0.89
    cyclooctane 0.98
    cyclopentanol 11.95
    tetrahydropyran 36.56
    tert-amyl methyl ether 6.03
    2,5,8-trioxanonane 64.86
    1-hexene 1.86
    2-isopropoxyethanol 24.91
    2,2,2-trifluoroethanol 9.66
    methyl butyrate 11.27

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction